3-(1,3-dihydroisoindol-2-ylsulfonyl)-N-(1-ethylpiperidin-3-yl)-4-(methylamino)benzamide

Systemtic Name: 3-(1,3-dihydroisoindol-2-ylsulfonyl)-N-(1-ethylpiperidin-3-yl)-4-(methylamino)benzamide Openeye Name: N-(1-ethyl-3-piperidyl)-3-isoindolin-2-ylsulfonyl-4-(methylamino)benzamide CAS Name: 3-(1,3-dihydroisoindol-2-ylsulfonyl)-N-(1-ethyl-3-piperidinyl)-4-(methylamino)benzamide IUPAC Name: 3-(1,3-dihydroisoindol-2-ylsulfonyl)-N-(1-ethylpiperidin-3-yl)-4-(methylamino)benzamide Traditional Name: N-(1-ethyl-3-piperidyl)-3-isoindolin-2-ylsulfonyl-4-(methylamino)benzamide Formula: C23H30N4O3S MolecularWeight: 442.5743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)NC(=O)C2=CC(=C(C=C2)NC)S(=O)(=O)N3CC4=CC=CC=C4C3

Isomeric SMILES

CCN1CCCC(C1)NC(=O)C2=CC(=C(C=C2)NC)S(=O)(=O)N3CC4=CC=CC=C4C3

InChI

InChI=1S/C23H30N4O3S/c1-3-26-12-6-9-20(16-26)25-23(28)17-10-11-21(24-2)22(13-17)31(29,30)27-14-18-7-4-5-8-19(18)15-27/h4-5,7-8,10-11,13,20,24H,3,6,9,12,14-16H2,1-2H3,(H,25,28)